Extended Data Fig. 7: DFT calculations.
From: Proton transport through nanoscale corrugations in two-dimensional crystals
a, Simulated structure of rippled graphene. Its plan and side views (top and bottom, respectively). b, Energy barrier for proton penetration for strain-free graphene (blue), flat graphene with biaxial strain of 3.3% (green) and rippled graphene with strain arising from curvature (h/L = 0.10, ε = 3.3%). Calculations for E were done using 0.1 Å steps for the distance d from graphene as shown in the inset.
